Cheminformatic Tools and Databases for Pharmacology

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
LYPRESSIN DISCONTINUED (is an active metabolite)

LYPRESSIN


ATC H01BA03

HORMONES
VASOCONSTRICTOR
ANTIDIURETIC
VASOPRESSIN ANALOG

NASAL

Cmax 1.1 NANOMOLAR

VD 1370 LITER

Cl 318 LITER / HOUR

HT 3 HOUR

VASOPRESSIN V1 RECEPTOR
VASOPRESSIN V2 RECEPTOR

VASOPRESSIN RECEPTOR AGONIST CHEMBL2363078 VASOPRESSIN RECEPTOR P30518EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
TERLIPRESSIN (has an active metabolite)

TERLIPRESSIN


ATC H01BA04

HORMONE
VASOPRESSIN RECEPTOR AGONIST WITH TWICE THE SELECTIVITY FOR VASOPRESSIN V1 RECEPTORS VERSUS V2 RECEPTORS
INDICATED TO IMPROVE KIDNEY FUNCTION IN ADULTS
THE MAJOR ACTIVE METABOLITE IS LYSINE- VASOPRESSIN

INTRAVENOUS

Cmax 57.4 NANOMOLAR

VD 6.3 LITER

Cl 27.4 LITER / HOUR

HT 0.9 HOUR

VASOPRESSIN V1 RECEPTOR
VASOPRESSIN V2 RECEPTOR

VASOPRESSIN RECEPTOR AGONIST CHEMBL2363078 VASOPRESSIN RECEPTOR P30518EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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